(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine

C10H20F2N2 — CID 129212641

IUPAC(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)C[C@@H]1C
InChIInChI=1S/C10H20F2N2/c1-8(2)14-5-4-13(6-9(14)3)7-10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyBHMPKMZDNXDYHT-VIFPVBQESA-N
MW206.28 g/mol
LogP1.67
Rot. Bonds3

About (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine

(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine (PubChem CID 129212641) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine
PubChem CID129212641
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)C[C@@H]1C
InChIInChI=1S/C10H20F2N2/c1-8(2)14-5-4-13(6-9(14)3)7-10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyBHMPKMZDNXDYHT-VIFPVBQESA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-Propan-2-yl-4-(trifluoromethyl)piperazine;dihydrochloride
CID 20283037
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(3-Fluoropropyl)-4-methylpiperazine
CID 20649680
1-(4-Fluorobutyl)-4-methylpiperazine
CID 20649682
N-[2-[butan-2-yl(propyl)amino]ethyl]-N'-(1,1-difluoroethyl)-1,1-difluoro-N,N'-bis(1,1,2,2,2-pentafluoroethyl)ethane-1,2-diamine
CID 21026477
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
Fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
CID 54384968
(2R,5S)-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 57519198
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine?
The IUPAC name of (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine (CID 129212641) is (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine is CC(C)N1CCN(CC(F)F)C[C@@H]1C.
What is the InChIKey of (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine?
The InChIKey is BHMPKMZDNXDYHT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(2)14-5-4-13(6-9(14)3)7-10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine?
(2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine has a molecular weight of 206.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,2-difluoroethyl)-2-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 129212641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).